Geometry & MOs

Info

ID:	165507
PubChem CID:	74559534
Reduced:	SN2O7H15C19 (1)
Stoich.:	AB2C7D15E19 (1)
Weight, g/mol:	418.97012
ΔH_f, kcal/mol:	-155.93
Dipole, Da:	8.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758932
Charge, e:	-1

Chem-info

IUPAC name:

2-[1-(2-bromo-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations